N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine

C9H15N3S — CID 130685931

IUPACN-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCC2CC2)s1
InChIInChI=1S/C9H15N3S/c1-6(2)8-11-12-9(13-8)10-5-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyYQKQVQHBSIIOKF-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.48
Rot. Bonds4

About N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine

N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 130685931) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID130685931
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCC2CC2)s1
InChIInChI=1S/C9H15N3S/c1-6(2)8-11-12-9(13-8)10-5-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyYQKQVQHBSIIOKF-UHFFFAOYSA-N
XLogP2.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 130685931) is N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NCC2CC2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is YQKQVQHBSIIOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)8-11-12-9(13-8)10-5-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130685931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).